8008-8823 Screening compound: 4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2,6-dimethoxyphenyl acetate

8008-8823 Screening compound: 4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2,6-dimethoxyphenyl acetate
8008-8823 Screening compound: 4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8823
4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2,6-dimethoxyphenyl acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8008-8823

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

4-[(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2,6-dimethoxyphenyl acetate

IUPAC name

4-[(E)-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)imino]methyl]-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=N/C(C1=O)=C(C)N(C)N1c1ccccc1)c1)c1OC)=O

InChI

InChI=1S/C22H23N3O5/c1-14-20(22(27)25(24(14)3)17-9-7-6-8-10-17)23-13-16-11-18(28-4)21(30-15(2)26)19(12-16)29-5/h6-13H,1-5H3

InChI Key

UFKJJGWTNYHADY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.60

Polar Surface Area

64.932

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

8008-8823 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8008-8823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8823?
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What is the minimum amount of 8008-8823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8823
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8008-8823 available by request